3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide

C20H19N3O2S — CID 174384154

IUPAC3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide
SMILESCS(=O)c1ccccc1NC(=O)c1cccc(N)c1Cc1ccncc1
InChIInChI=1S/C20H19N3O2S/c1-26(25)19-8-3-2-7-18(19)23-20(24)15-5-4-6-17(21)16(15)13-14-9-11-22-12-10-14/h2-12H,13,21H2,1H3,(H,23,24)
InChIKeyWCBURCPQFKGXKR-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.24
Rot. Bonds5

About 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide

3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide (PubChem CID 174384154) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide
PubChem CID174384154
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide
SMILESCS(=O)c1ccccc1NC(=O)c1cccc(N)c1Cc1ccncc1
InChIInChI=1S/C20H19N3O2S/c1-26(25)19-8-3-2-7-18(19)23-20(24)15-5-4-6-17(21)16(15)13-14-9-11-22-12-10-14/h2-12H,13,21H2,1H3,(H,23,24)
InChIKeyWCBURCPQFKGXKR-UHFFFAOYSA-N
XLogP3.24
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(3-benzoylphenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174385428
3-amino-N-(3-cyanophenyl)-2-(pyridin-4-ylmethyl)benzamide
CID 174384662
3-amino-2-(pyridin-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 174385427
2-[(2-acetyl-4-pyridinyl)methyl]-3-amino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 174477883
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
3-amino-2-benzylbenzenecarbothioic S-acid
CID 22403388
2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 43402957
1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride
CID 173093690
3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
[2-[(2-aminobenzoyl)amino]phenyl]carbamic acid
CID 69256283
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
CID 174430362
2-amino-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594598

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide (CID 174384154) is 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide is CS(=O)c1ccccc1NC(=O)c1cccc(N)c1Cc1ccncc1.
What is the InChIKey of 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
The InChIKey is WCBURCPQFKGXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-26(25)19-8-3-2-7-18(19)23-20(24)15-5-4-6-17(21)16(15)13-14-9-11-22-12-10-14/h2-12H,13,21H2,1H3,(H,23,24).
What are the key properties of 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide?
3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylsulfinylphenyl)-2-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 174384154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).